2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine

C176H197FN42O10 — CID 158396011

IUPAC2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine
SMILESC.COc1ccc2c3ccc(C)cc3n(CCNCC3OC(n4cnc5c(C)ncnc54)C(O)C3O)c2c1.Cc1ccc2c(c1)c1ccccc1n2CCNCCOCn1cnc2c(C)ncnc21.Cc1ccc2c3c(C)cccc3n(CCNCCOCn3cnc4c(C)ncnc43)c2c1.Cc1ccc2c3ccc(C(C)(C)C)cc3n(CCNCCOCn3cnc4c(C)ncnc43)c2c1.Cc1ccc2c3ccccc3n(CCNCCOCn3cnc4c(C)ncnc43)c2c1.Cc1ncnc2c1ncn2COCCNCCn1c2ccccc2c2ccc(F)cc21.Cc1ncnc2c1ncn2COCCNCCn1c2ccccc2c2cccc(C)c21
InChIInChI=1S/C28H34N6O.C27H30N6O4.C25H28N6O.3C24H26N6O.C23H23FN6O.CH4/c1-19-6-8-22-23-9-7-21(28(3,4)5)15-25(23)34(24(22)14-19)12-10-29-11-13-35-18-33-17-32-26-20(2)30-16-31-27(26)33;1-15-4-6-18-19-7-5-17(36-3)11-21(19)32(20(18)10-15)9-8-28-12-22-24(34)25(35)27(37-22)33-14-31-23-16(2)29-13-30-26(23)33;1-17-7-8-20-22(13-17)31(21-6-4-5-18(2)23(20)21)11-9-26-10-12-32-16-30-15-29-24-19(3)27-14-28-25(24)30;1-17-6-5-8-20-19-7-3-4-9-21(19)30(23(17)20)12-10-25-11-13-31-16-29-15-28-22-18(2)26-14-27-24(22)29;1-17-7-8-22-20(13-17)19-5-3-4-6-21(19)30(22)11-9-25-10-12-31-16-29-15-28-23-18(2)26-14-27-24(23)29;1-17-7-8-20-19-5-3-4-6-21(19)30(22(20)13-17)11-9-25-10-12-31-16-29-15-28-23-18(2)26-14-27-24(23)29;1-16-22-23(27-13-26-16)29(14-28-22)15-31-11-9-25-8-10-30-20-5-3-2-4-18(20)19-7-6-17(24)12-21(19)30;/h6-9,14-17,29H,10-13,18H2,1-5H3;4-7,10-11,13-14,22,24-25,27-28,34-35H,8-9,12H2,1-3H3;4-8,13-15,26H,9-12,16H2,1-3H3;3-9,14-15,25H,10-13,16H2,1-2H3;2*3-8,13-15,25H,9-12,16H2,1-2H3;2-7,12-14,25H,8-11,15H2,1H3;1H4
InChIKeyGXOAOQDVRHVXBO-UHFFFAOYSA-N
MW3079.79 g/mol
LogP27.43
Rot. Bonds55

About 2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine

2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine (PubChem CID 158396011) has the molecular formula C176H197FN42O10 and a molecular weight of 3079.79 g/mol. Its IUPAC name is 2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine
PubChem CID158396011
Molecular FormulaC176H197FN42O10
Molecular Weight3079.79 g/mol
Exact Mass3077.62
IUPAC Name2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine
SMILESC.COc1ccc2c3ccc(C)cc3n(CCNCC3OC(n4cnc5c(C)ncnc54)C(O)C3O)c2c1.Cc1ccc2c(c1)c1ccccc1n2CCNCCOCn1cnc2c(C)ncnc21.Cc1ccc2c3c(C)cccc3n(CCNCCOCn3cnc4c(C)ncnc43)c2c1.Cc1ccc2c3ccc(C(C)(C)C)cc3n(CCNCCOCn3cnc4c(C)ncnc43)c2c1.Cc1ccc2c3ccccc3n(CCNCCOCn3cnc4c(C)ncnc43)c2c1.Cc1ncnc2c1ncn2COCCNCCn1c2ccccc2c2ccc(F)cc21.Cc1ncnc2c1ncn2COCCNCCn1c2ccccc2c2cccc(C)c21
InChIInChI=1S/C28H34N6O.C27H30N6O4.C25H28N6O.3C24H26N6O.C23H23FN6O.CH4/c1-19-6-8-22-23-9-7-21(28(3,4)5)15-25(23)34(24(22)14-19)12-10-29-11-13-35-18-33-17-32-26-20(2)30-16-31-27(26)33;1-15-4-6-18-19-7-5-17(36-3)11-21(19)32(20(18)10-15)9-8-28-12-22-24(34)25(35)27(37-22)33-14-31-23-16(2)29-13-30-26(23)33;1-17-7-8-20-22(13-17)31(21-6-4-5-18(2)23(20)21)11-9-26-10-12-32-16-30-15-29-24-19(3)27-14-28-25(24)30;1-17-6-5-8-20-19-7-3-4-9-21(19)30(23(17)20)12-10-25-11-13-31-16-29-15-28-22-18(2)26-14-27-24(22)29;1-17-7-8-22-20(13-17)19-5-3-4-6-21(19)30(22)11-9-25-10-12-31-16-29-15-28-23-18(2)26-14-27-24(23)29;1-17-7-8-20-19-5-3-4-6-21(19)30(22(20)13-17)11-9-25-10-12-31-16-29-15-28-23-18(2)26-14-27-24(23)29;1-16-22-23(27-13-26-16)29(14-28-22)15-31-11-9-25-8-10-30-20-5-3-2-4-18(20)19-7-6-17(24)12-21(19)30;/h6-9,14-17,29H,10-13,18H2,1-5H3;4-7,10-11,13-14,22,24-25,27-28,34-35H,8-9,12H2,1-3H3;4-8,13-15,26H,9-12,16H2,1-3H3;3-9,14-15,25H,10-13,16H2,1-2H3;2*3-8,13-15,25H,9-12,16H2,1-2H3;2-7,12-14,25H,8-11,15H2,1H3;1H4
InChIKeyGXOAOQDVRHVXBO-UHFFFAOYSA-N
XLogP27.43
TPSA538.22 Ų
H-Bond Donors9
H-Bond Acceptors52
Rotatable Bonds55
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003079.79
LogP ≤ 527.43
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine with MolForge

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Related Compounds

2-(6-Aminopurin-9-yl)-5-[[2-[5-methoxy-2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 134460178
4-(6-Aminopurin-9-yl)-2-[[2-[2-[[9-[2-[2-[(6-aminopurin-9-yl)methoxy]ethylamino]ethyl]-8-[[9-[2-[2-[(6-aminopurin-9-yl)methoxy]ethylamino]ethyl]-7-(trifluoromethyl)carbazol-3-yl]methyl]carbazol-3-yl]methoxy]-7-methylcarbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 139448107
bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[2-[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol
CID 157246702
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-3H-indol-2-yl)ethyl]cyclobutyl]-(2,2,2-trifluoroethyl)amino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(trifluoromethoxy)-3H-indol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentan-1-ol
CID 157635950
N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;6-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
CID 158024480
bis((2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[4-(4,6-difluoro-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[4-(6-methyl-1H-benzimidazol-2-yl)butyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[4-[6-methyl-4-(trifluoromethyl)-1H-benzimidazol-2-yl]butyl-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-(4,5,6-trifluoro-1H-benzimidazol-2-yl)butyl]amino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-aminoimidazo[4,5-b]pyridin-3-yl)-5-[[propan-2-yl-[4-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]butyl]amino]methyl]oxolane-3,4-diol
CID 158308871
1-[3-[2,4-bis(trifluoromethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 158788602
bis((2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-ethylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-methylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-[6-(1,1-difluoroethoxy)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol
CID 158809012
bis((2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-ethylamino]methyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-methylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[propan-2-yl-[3-[2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol
CID 159149699
2-(6-Aminopurin-9-yl)-5-[[2-(2-fluorocarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(2-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(3-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-(4-methylcarbazol-9-yl)ethylamino]methyl]oxolane-3,4-diol;2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
CID 159305501
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-(2,2,2-trifluoroethyl)amino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol;(2R,3R,5S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]oxolan-3-ol
CID 159558285
bis((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[2-[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]ethyl]oxolane-3,4-diol);(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-(2,2,2-trifluoroethyl)amino]methyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[propan-2-yl-[3-[2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol;(1R,2R,4S)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-[[[3-[2-(6-tert-butyl-1H-benzimidazol-2-yl)ethyl]cyclobutyl]-propan-2-ylamino]methyl]cyclopentan-1-ol
CID 159659700

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine?
The IUPAC name of 2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine (CID 158396011) is 2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine.
What is the SMILES notation for 2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine?
The canonical SMILES for 2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine is C.COc1ccc2c3ccc(C)cc3n(CCNCC3OC(n4cnc5c(C)ncnc54)C(O)C3O)c2c1.Cc1ccc2c(c1)c1ccccc1n2CCNCCOCn1cnc2c(C)ncnc21.Cc1ccc2c3c(C)cccc3n(CCNCCOCn3cnc4c(C)ncnc43)c2c1.Cc1ccc2c3ccc(C(C)(C)C)cc3n(CCNCCOCn3cnc4c(C)ncnc43)c2c1.Cc1ccc2c3ccccc3n(CCNCCOCn3cnc4c(C)ncnc43)c2c1.Cc1ncnc2c1ncn2COCCNCCn1c2ccccc2c2ccc(F)cc21.Cc1ncnc2c1ncn2COCCNCCn1c2ccccc2c2cccc(C)c21.
What is the InChIKey of 2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine?
The InChIKey is GXOAOQDVRHVXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O.C27H30N6O4.C25H28N6O.3C24H26N6O.C23H23FN6O.CH4/c1-19-6-8-22-23-9-7-21(28(3,4)5)15-25(23)34(24(22)14-19)12-10-29-11-13-35-18-33-17-32-26-20(2)30-16-31-27(26)33;1-15-4-6-18-19-7-5-17(36-3)11-21(19)32(20(18)10-15)9-8-28-12-22-24(34)25(35)27(37-22)33-14-31-23-16(2)29-13-30-26(23)33;1-17-7-8-20-22(13-17)31(21-6-4-5-18(2)23(20)21)11-9-26-10-12-32-16-30-15-29-24-19(3)27-14-28-25(24)30;1-17-6-5-8-20-19-7-3-4-9-21(19)30(23(17)20)12-10-25-11-13-31-16-29-15-28-22-18(2)26-14-27-24(22)29;1-17-7-8-22-20(13-17)19-5-3-4-6-21(19)30(22)11-9-25-10-12-31-16-29-15-28-23-18(2)26-14-27-24(23)29;1-17-7-8-20-19-5-3-4-6-21(19)30(22(20)13-17)11-9-25-10-12-31-16-29-15-28-23-18(2)26-14-27-24(23)29;1-16-22-23(27-13-26-16)29(14-28-22)15-31-11-9-25-8-10-30-20-5-3-2-4-18(20)19-7-6-17(24)12-21(19)30;/h6-9,14-17,29H,10-13,18H2,1-5H3;4-7,10-11,13-14,22,24-25,27-28,34-35H,8-9,12H2,1-3H3;4-8,13-15,26H,9-12,16H2,1-3H3;3-9,14-15,25H,10-13,16H2,1-2H3;2*3-8,13-15,25H,9-12,16H2,1-2H3;2-7,12-14,25H,8-11,15H2,1H3;1H4.
What are the key properties of 2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine?
2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine has a molecular weight of 3079.79 g/mol, XLogP of 27.43, 55 rotatable bonds, 9 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-7-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2,5-dimethylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-fluorocarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;methane;2-[[2-(2-methoxy-7-methylcarbazol-9-yl)ethylamino]methyl]-5-(6-methylpurin-9-yl)oxolane-3,4-diol;2-(1-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(2-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine;2-(3-methylcarbazol-9-yl)-N-[2-[(6-methylpurin-9-yl)methoxy]ethyl]ethanamine is sourced from PubChem (CID 158396011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).